2-[[1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[[1-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[(1-tyrosylprolyl)amino]propionic acid Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)O)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)O)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C25H28N4O5/c26-19(12-15-7-9-17(30)10-8-15)24(32)29-11-3-6-22(29)23(31)28-21(25(33)34)13-16-14-27-20-5-2-1-4-18(16)20/h1-2,4-5,7-10,14,19,21-22,27,30H,3,6,11-13,26H2,(H,28,31)(H,33,34)